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62425-99-4 | 6-Benzothiazolesulfonylchloride,2,3-dihydro-2-oxo-(9CI)
CAS No: 62425-99-4 Catalog No: AG00ECY2 MDL No:MFCD03033469
Product Description
Catalog Number:
AG00ECY2
Chemical Name:
6-Benzothiazolesulfonylchloride,2,3-dihydro-2-oxo-(9CI)
CAS Number:
62425-99-4
Molecular Formula:
C7H4ClNO3S2
Molecular Weight:
249.6946
MDL Number:
MFCD03033469
IUPAC Name:
2-oxo-3H-1,3-benzothiazole-6-sulfonyl chloride
InChI:
InChI=1S/C7H4ClNO3S2/c8-14(11,12)4-1-2-5-6(3-4)13-7(10)9-5/h1-3H,(H,9,10)
InChI Key:
XTLMRZGHSSZIIR-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(s1)cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.932g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.683g/mol
Monoisotopic Mass:
248.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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